| CAS Number | 1280980-98-4 |
| Catalog Number | AG01AH7W |
| Chemical Name | N-(3-aminopropyl)-3-fluorobenzamide hydrochloride |
| IUPAC Name | N-(3-aminopropyl)-3-fluorobenzamide;hydrochloride |
| InChI | InChI=1S/C10H13FN2O.ClH/c11-9-4-1-3-8(7-9)10(14)13-6-2-5-12;/h1,3-4,7H,2,5-6,12H2,(H,13,14);1H |
| InChI Key | RAGXLXPGIMDELT-UHFFFAOYSA-N |
| MDL Number | MFCD18483237 |
| Molecular Formula | C10H14ClFN2O |
| Molecular Weight | 232.6824 |
| SMILES | Cl.NCCCNC(C1=CC(F)=CC=C1)=O |
| Synonyms | N-(3-aminopropyl)-3-fluorobenzamide hydrochloride,
1280980-98-4,
AKOS008105146,
MCULE-4956082666,
NE39580,
EN300-73953,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.683g/mol |
| Monoisotopic Mass | 232.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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